CID 510757

4-[3-[(3,5-dichloro-2-hydroxy-phenyl)sulfonylamino]phenyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C16H11Cl2NO7S
SMILES
C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C(=CC(=C2)Cl)Cl)O)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C16H11Cl2NO7S/c17-9-5-11(18)15(22)14(6-9)27(25,26)19-10-3-1-2-8(4-10)12(20)7-13(21)16(23)24/h1-6,19,22H,7H2,(H,23,24)
InChIKey
VIWMHZYVDAVDAO-UHFFFAOYSA-N
Compound name
4-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]phenyl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.96332 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.97060 182.8
[M+Na]+ 453.95254 190.3
[M-H]- 429.95604 187.5
[M+NH4]+ 448.99714 192.4
[M+K]+ 469.92648 185.1
[M+H-H2O]+ 413.96058 178.4
[M+HCOO]- 475.96152 188.0
[M+CH3COO]- 489.97717 219.0
[M+Na-2H]- 451.93799 182.8
[M]+ 430.96277 189.9
[M]- 430.96387 189.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.